V018-4356 Screening compound: 5-(3-fluorophenyl)-2-[1-(4-methoxybenzenesulfonyl)pyrrolidin-2-yl]-1,3-benzoxazole

V018-4356 Screening compound: 5-(3-fluorophenyl)-2-[1-(4-methoxybenzenesulfonyl)pyrrolidin-2-yl]-1,3-benzoxazole
V018-4356 Screening compound: 5-(3-fluorophenyl)-2-[1-(4-methoxybenzenesulfonyl)pyrrolidin-2-yl]-1,3-benzoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-4356
5-(3-fluorophenyl)-2-[1-(4-methoxybenzenesulfonyl)pyrrolidin-2-yl]-1,3-benzoxazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V018-4356

Molecular Formula

C24H21FN2O4S (C24 H21 FN2 O4 S)

Compound Name

5-(3-fluorophenyl)-2-[1-(4-methoxybenzenesulfonyl)pyrrolidin-2-yl]-1,3-benzoxazole

IUPAC name

5-(3-fluorophenyl)-2-[1-(4-methoxybenzenesulfonyl)pyrrolidin-2-yl]-13-benzoxazole

SMILES

COc(cc1)ccc1S(N(CCC1)C1c1nc(cc(cc2)-c3cc(F)ccc3)c2o1)(=O)=O

InChI

InChI=1S/C24H21FN2O4S/c1-30-19-8-10-20(11-9-19)32(28,29)27-13-3-6-22(27)24-26-21-15-17(7-12-23(21)31-24)16-4-2-5-18(25)14-16/h2,4-5,7-12,14-15,22H,3,6,13H2,1H3/t22-/m0/s1

InChI Key

FQESQMVGIHBBSB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19969915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.319

Distribution Coefficient, logD

5.319

Water Solubility, LogSw

-5.46

Polar Surface Area

56.869

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

V018-4356 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V018-4356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-4356?
Check Price and Availability of V018-4356, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V018-4356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-4356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-4356
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V018-4356 available by request